CID 68850328

C21H29N5O5Si — CID 68850328

IUPAC—
SMILESCC(C)(C)[Si]OC(C)(C)C1OC(n2cc3c(N)cc4c(=O)[nH]ncc(n2)c34)C(C)(O)C1O
InChIInChI=1S/C21H29N5O5Si/c1-19(2,3)32-31-20(4,5)16-15(27)21(6,29)18(30-16)26-9-11-12(22)7-10-14(11)13(25-26)8-23-24-17(10)28/h7-9,15-16,18,27,29H,22H2,1-6H3,(H,24,28)
InChIKeyRPMMRKXGIWMGJD-UHFFFAOYSA-N
MW459.58 g/mol
LogP1.50
Rot. Bonds4

About CID 68850328

CID 68850328 (PubChem CID 68850328) has the molecular formula C21H29N5O5Si and a molecular weight of 459.58 g/mol.

Molecular Properties

Compound NameCID 68850328
PubChem CID68850328
Molecular FormulaC21H29N5O5Si
Molecular Weight459.58 g/mol
Exact Mass459.19
IUPAC Name—
SMILESCC(C)(C)[Si]OC(C)(C)C1OC(n2cc3c(N)cc4c(=O)[nH]ncc(n2)c34)C(C)(O)C1O
InChIInChI=1S/C21H29N5O5Si/c1-19(2,3)32-31-20(4,5)16-15(27)21(6,29)18(30-16)26-9-11-12(22)7-10-14(11)13(25-26)8-23-24-17(10)28/h7-9,15-16,18,27,29H,22H2,1-6H3,(H,24,28)
InChIKeyRPMMRKXGIWMGJD-UHFFFAOYSA-N
XLogP1.50
TPSA148.51 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 68850328?
The IUPAC name of CID 68850328 (CID 68850328) is not available.
What is the SMILES notation for CID 68850328?
The canonical SMILES for CID 68850328 is CC(C)(C)[Si]OC(C)(C)C1OC(n2cc3c(N)cc4c(=O)[nH]ncc(n2)c34)C(C)(O)C1O.
What is the InChIKey of CID 68850328?
The InChIKey is RPMMRKXGIWMGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O5Si/c1-19(2,3)32-31-20(4,5)16-15(27)21(6,29)18(30-16)26-9-11-12(22)7-10-14(11)13(25-26)8-23-24-17(10)28/h7-9,15-16,18,27,29H,22H2,1-6H3,(H,24,28).
What are the key properties of CID 68850328?
CID 68850328 has a molecular weight of 459.58 g/mol, XLogP of 1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68850328 is sourced from PubChem (CID 68850328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).